ethyl 4-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-isobutoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCC(C)C

InChI

InChI=1S/C21H24N2O4S/c1-4-26-20(25)15-9-11-16(12-10-15)22-21(28)23-19(24)17-7-5-6-8-18(17)27-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,22,23,24,28)